1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one

C25H25NO3 — CID 58272886

IUPAC1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one
SMILESCCC(=O)c1cc2c(Oc3ccc(CC(=O)CC4CC4)cc3)ccnc2cc1C
InChIInChI=1S/C25H25NO3/c1-3-24(28)21-15-22-23(12-16(21)2)26-11-10-25(22)29-20-8-6-18(7-9-20)14-19(27)13-17-4-5-17/h6-12,15,17H,3-5,13-14H2,1-2H3
InChIKeyQEOUNHKAJGSTLM-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.84
Rot. Bonds8

About 1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one

1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one (PubChem CID 58272886) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one
PubChem CID58272886
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one
SMILESCCC(=O)c1cc2c(Oc3ccc(CC(=O)CC4CC4)cc3)ccnc2cc1C
InChIInChI=1S/C25H25NO3/c1-3-24(28)21-15-22-23(12-16(21)2)26-11-10-25(22)29-20-8-6-18(7-9-20)14-19(27)13-17-4-5-17/h6-12,15,17H,3-5,13-14H2,1-2H3
InChIKeyQEOUNHKAJGSTLM-UHFFFAOYSA-N
XLogP5.84
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-ethyl-7-methylquinoline-6-carboxamide
CID 58272742
2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
CID 71122818
4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 58272598
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-(2-ethoxyethyl)-7-methylquinoline-6-carboxamide
CID 58272184
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-(1,3-dihydroxypropan-2-yl)-7-methylquinoline-6-carboxamide
CID 58272388
1-cyclohexyl-5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-sulfanylidenepentan-2-one
CID 58249457
1-[4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-6-methoxyquinolin-7-yl]propan-1-one
CID 159295377
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
CID 58272647
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-methyl-7-phenylmethoxyquinoline-6-carboxamide
CID 58272228
N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide
CID 58272212
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one?
The IUPAC name of 1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one (CID 58272886) is 1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one?
The canonical SMILES for 1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one is CCC(=O)c1cc2c(Oc3ccc(CC(=O)CC4CC4)cc3)ccnc2cc1C.
What is the InChIKey of 1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one?
The InChIKey is QEOUNHKAJGSTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-3-24(28)21-15-22-23(12-16(21)2)26-11-10-25(22)29-20-8-6-18(7-9-20)14-19(27)13-17-4-5-17/h6-12,15,17H,3-5,13-14H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one?
1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one has a molecular weight of 387.48 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one is sourced from PubChem (CID 58272886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).